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	hartrees
Energy at 0K	-267.985174
Energy at 298.15K	-267.995151
Nuclear repulsion energy	194.283198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3512	3369	3.22
2	A	3373	3236	48.09
3	A	3151	3023	29.18
4	A	3147	3019	19.57
5	A	3141	3013	9.18
6	A	3065	2941	22.95
7	A	3058	2934	27.89
8	A	2949	2829	74.58
9	A	1563	1499	6.05
10	A	1542	1480	5.78
11	A	1537	1475	8.47
12	A	1477	1417	74.68
13	A	1452	1393	18.00
14	A	1401	1345	21.03
15	A	1390	1334	19.13
16	A	1381	1325	33.37
17	A	1338	1284	20.05
18	A	1237	1187	16.70
19	A	1170	1122	5.47
20	A	1106	1061	17.04
21	A	1068	1025	40.69
22	A	1008	967	60.42
23	A	954	915	12.60
24	A	922	885	18.12
25	A	852	817	12.13
26	A	709	680	158.57
27	A	526	505	14.98
28	A	470	451	21.87
29	A	388	372	89.98
30	A	358	343	11.82
31	A	265	254	2.88
32	A	225	216	0.33
33	A	151	145	5.71

Atom	x (Å)	y (Å)	z (Å)
O1	-0.301	1.378	-0.145
H2	0.697	1.445	-0.226
O3	1.913	-0.058	-0.039
H4	2.170	-0.099	0.920
C5	0.659	-0.816	-0.189
H6	0.527	-0.920	-1.268
H7	0.710	-1.808	0.277
C8	-0.481	0.037	0.378
H9	-0.414	0.023	1.482
C10	-1.849	-0.466	-0.057
H11	-1.902	-0.466	-1.151
H12	-2.038	-1.477	0.322
H13	-2.624	0.208	0.321

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		1.0032	2.6405	3.0691	2.3945	2.6883	3.3683	1.4497	2.1206	2.4091	2.6412	3.3742	2.6431
H2	1.0032		1.9426	2.4226	2.2615	2.5906	3.2918	1.9322	2.4852	3.1881	3.3561	4.0399	3.5865
O3	2.6405	1.9426		0.9938	1.4724	2.0438	2.1470	2.4316	2.7810	3.7844	3.9944	4.2139	4.5595
H4	3.0691	2.4226	0.9938		2.0063	2.8575	2.3379	2.7091	2.6469	4.1527	4.5830	4.4685	4.8415
C5	2.3945	2.2615	1.4724	2.0063		1.0927	1.0974	1.5326	2.1558	2.5365	2.7581	2.8243	3.4773
H6	2.6883	2.5906	2.0438	2.8575	1.0927		1.7917	2.1547	3.0562	2.7055	2.4732	3.0692	3.7054
H7	3.3683	3.2918	2.1470	2.3379	1.0974	1.7917		2.1982	2.4627	2.9089	3.2647	2.7684	3.8963
C8	1.4497	1.9322	2.4316	2.7091	1.5326	2.1547	2.1982		1.1067	1.5217	2.1473	2.1731	2.1512
H9	2.1206	2.4852	2.7810	2.6469	2.1558	3.0562	2.4627	1.1067		2.1610	3.0642	2.4969	2.5040
C10	2.4091	3.1881	3.7844	4.1527	2.5365	2.7055	2.9089	1.5217	2.1610		1.0953	1.0962	1.0944
H11	2.6412	3.3561	3.9944	4.5830	2.7581	2.4732	3.2647	2.1473	3.0642	1.0953		1.7916	1.7735
H12	3.3742	4.0399	4.2139	4.4685	2.8243	3.0692	2.7684	2.1731	2.4969	1.0962	1.7916		1.7835
H13	2.6431	3.5865	4.5595	4.8415	3.4773	3.7054	3.8963	2.1512	2.5040	1.0944	1.7735	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	106.782	O1	C8	H9	111.397
O1	C8	C10	108.318	H2	O1	C8	102.419
O3	C5	H6	104.678	O3	C5	H7	112.516
O3	C5	C8	108.016	H4	O3	C5	107.296
C5	C8	H9	108.454	C5	C8	C10	112.291
H6	C5	H7	109.791	H6	C5	C8	109.167
H7	C5	C8	112.349	C8	C10	H11	109.192
C8	C10	H12	111.178	C8	C10	H13	109.549
H9	C8	C10	109.598	H11	C10	H12	109.677
H11	C10	H13	108.183	H12	C10	H13	109.009

All results from a given calculation for C₃H₈O₂ (Propylene glycol)

using model chemistry: B3PW91/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.577
2	H	0.350
3	O	-0.550
4	H	0.356
5	C	-0.221
6	H	0.248
7	H	0.201
8	C	-0.031
9	H	0.182
10	C	-0.614
11	H	0.222
12	H	0.197
13	H	0.236

	x	y	z	Total
	0.688	-2.180	1.629	2.807
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	131.634
(<r²>)^1/2	11.473

All results from a given calculation for C3H8O2 (Propylene glycol)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₃H₈O₂ (Propylene glycol)